SCHEMBL9457

SCHEMBL9457

CCCCC(=O)N(C)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
BACE1 P56817 1/20 0.44
CYP1A2 P05177 1/20 0.42
KDM5A P29375 3/20 0.41
PHF8 Q9UPP1 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
ALOX5 P09917 2/20 0.41
NAAA Q02083 3/20 0.39
SIGMAR1 Q99720 1/20 0.37
KMT2A Q03164 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2718787 0.89 ALOX5 (0.43) BACE1CYP1A2KDM5APHF8KDM2A
SCHEMBL24772554 0.87 ALOX5 (0.41) ALDH1A1BACE1CYP1A2KDM5APHF8
SCHEMBL17624924 0.83 ALDH1A1 (0.44) ALDH1A1CYP1A2KMT2A
SCHEMBL14923343 0.82 MEN1 (0.48) ALDH1A1BACE1KDM5APHF8KDM2A
SCHEMBL14321939 0.82 ALOX5 (0.46) ALDH1A1BACE1CYP1A2KDM5APHF8
SCHEMBL11892779 0.80 ALOX5 (0.44) ALDH1A1BACE1KDM5APHF8KDM2A
SCHEMBL2933581 0.77 ALOX5 (0.44) ALDH1A1BACE1KDM5APHF8KDM2A
SCHEMBL21568851 0.74 ALOX5 (0.48) ALDH1A1KDM5APHF8KDM2AKDM4C
SCHEMBL3373961 0.74 ALOX5 (0.48) ALDH1A1KDM5APHF8KDM2AKDM4C
SCHEMBL2718690 0.74 ALOX5 (0.48) ALOX5SIGMAR1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP ALDH1A1 1846/4885BACE1 1/4885CYP1A2 280/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.